ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-6-chloranyl-quinoline-2-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-6-chloranyl-quinoline-2-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]-6-chloro-quinoline-2-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-6-chloro-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]-6-chloro-quinaldic acid ethyl ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17ClN2O6/c1-2-27-21(26)16-9-18(14-7-12(22)3-5-15(14)24-16)28-10-20(25)23-13-4-6-17-19(8-13)30-11-29-17/h3-9H,2,10-11H2,1H3,(H,23,25)